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4-(6-Benzyl-7-oxo-1,2,3,4,5,5a,5a(1),6,7,7a,8,12b-dodeca-hydro-benzo[f]cyclo-octa-[cd]isoindol-8-yl)benzonitrile.

ABSTRACT: In the title compound, C31H30N2O, the cis-fused cyclo-hexene and cyclo-octane rings adopt boat and boat-chair conformations, respectively. The essentially planar five-membered N-heterocyclic ring [r.m.s. deviation = 0.017?(1)?Å] is cis- and trans-fused, respectively, with the cyclo-hexene and cyclo-octane rings. In the crystal, mol-ecules are linked into inversion dimers through pairs of weak C-H?O inter-actions.

SUBMITTER: Zhang YL

PROVIDER: S-EPMC3629602 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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4-(6-Benzyl-7-oxo-1,2,3,4,5,5a,5a(1),6,7,7a,8,12b-dodeca-hydro-benzo[f]cyclo-octa-[cd]isoindol-8-yl)benzonitrile.

Zhang Yu-Long YL Hu Yi-Min YM

Acta crystallographica. Section E, Structure reports online 20130316 Pt 4

In the title compound, C31H30N2O, the cis-fused cyclo-hexene and cyclo-octane rings adopt boat and boat-chair conformations, respectively. The essentially planar five-membered N-heterocyclic ring [r.m.s. deviation = 0.017 (1) Å] is cis- and trans-fused, respectively, with the cyclo-hexene and cyclo-octane rings. In the crystal, mol-ecules are linked into inversion dimers through pairs of weak C-H⋯O inter-actions. ...[more]

PMID: 23634089

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